ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole

C15H27N5O — CID 168942637

IUPACethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
SMILESCC.CC.Cc1noc(-c2cc3n(n2)CCCN(C)C3)n1
InChIInChI=1S/C11H15N5O.2C2H6/c1-8-12-11(17-14-8)10-6-9-7-15(2)4-3-5-16(9)13-10;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyJRHDEHFNRNVTJE-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.13
Rot. Bonds1

About ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole

ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole (PubChem CID 168942637) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
PubChem CID168942637
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Nameethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
SMILESCC.CC.Cc1noc(-c2cc3n(n2)CCCN(C)C3)n1
InChIInChI=1S/C11H15N5O.2C2H6/c1-8-12-11(17-14-8)10-6-9-7-15(2)4-3-5-16(9)13-10;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyJRHDEHFNRNVTJE-UHFFFAOYSA-N
XLogP3.13
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741
formaldehyde;5-methyl-2-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 177033704
ethane;5-methyl-N-sulfanyloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 170601717
N-cyclopropyl-4-[5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-amine
CID 167786466
5-(5,6-dimethylpyridazin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 142380148
N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50973813
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 95228190
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[5-(oxolan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
CID 56897683
ethane;5-(4-methoxy-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 144912637
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971649
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole (CID 168942637) is ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole is CC.CC.Cc1noc(-c2cc3n(n2)CCCN(C)C3)n1.
What is the InChIKey of ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The InChIKey is JRHDEHFNRNVTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.2C2H6/c1-8-12-11(17-14-8)10-6-9-7-15(2)4-3-5-16(9)13-10;2*1-2/h6H,3-5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole has a molecular weight of 293.42 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 168942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).